#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/88/2228850.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2228850
loop_
_publ_author_name
'Sahraei, Atefeh'
'Kargar, Hadi'
'Kia, Reza'
'Tahir, Muhammad Nawaz'
_publ_section_title
;
 {5,5'-Dimethoxy-2,2'-[4,5-dimethyl-o-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)
;
_journal_coeditor_code           PV2367
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m82
_journal_page_last               m83
_journal_paper_doi               10.1107/S1600536810051834
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ni (C24 H22 N2 O4)]'
_chemical_formula_moiety         'C24 H22 N2 Ni O4'
_chemical_formula_sum            'C24 H22 N2 Ni O4'
_chemical_formula_weight         461.15
_chemical_name_common
;
{4,4'-Dimethoxy-2,2'-[4,5-dimethyl-o-phenylenebis(nitrilomethylidyne)]
diphenolato}nickel(II)
;
_chemical_name_systematic
;
{5,5'-Dimethoxy-2,2'-[4,5-dimethyl-o-
phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.261(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3244(10)
_cell_length_b                   16.5528(19)
_cell_length_c                   12.1622(11)
_cell_measurement_reflns_used    2525
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.45
_cell_measurement_theta_min      2.45
_cell_volume                     2094.5(4)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2005)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2005)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean '0.15 mm'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Stoe IPDS II Image Plate diffractometer'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0702
_diffrn_reflns_av_sigmaI/netI    0.0727
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13361
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.96
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.960
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.872
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(MULABS in PLATON; Spek, 2009)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.246
_refine_diff_density_min         -0.372
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         4799
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0862
_refine_ls_R_factor_gt           0.0477
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0350P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0829
_refine_ls_wR_factor_ref         0.0921
_reflns_number_gt                3241
_reflns_number_total             4799
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            pv2367.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2228850
_cod_database_fobs_code          2228850
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni Ni1 0.52301(3) 0.15530(2) 0.57365(3) 0.03266(10) Uani d . 1 . .
O O1 0.67263(16) 0.20767(13) 0.58815(17) 0.0422(5) Uani d . 1 . .
O O2 0.52566(17) 0.11985(13) 0.43077(16) 0.0418(5) Uani d . 1 . .
O O3 1.05950(18) 0.35630(16) 0.7684(2) 0.0597(7) Uani d . 1 . .
O O4 0.4090(3) -0.00753(17) 0.0642(2) 0.0735(8) Uani d . 1 . .
N N1 0.51974(18) 0.19646(15) 0.7148(2) 0.0344(5) Uani d . 1 . .
N N2 0.37394(18) 0.10034(14) 0.5568(2) 0.0346(5) Uani d . 1 . .
C C1 0.7477(2) 0.25092(18) 0.6784(2) 0.0334(6) Uani d . 1 . .
C C2 0.8639(2) 0.27954(18) 0.6749(2) 0.0387(7) Uani d . 1 . .
H H2A 0.8848 0.2664 0.6104 0.046 Uiso calc R 1 . .
C C3 0.9458(2) 0.32637(19) 0.7655(3) 0.0430(7) Uani d . 1 . .
C C4 0.9165(3) 0.3470(2) 0.8639(3) 0.0519(8) Uani d . 1 . .
H H4A 0.9732 0.3785 0.9254 0.062 Uiso calc R 1 . .
C C5 0.8052(3) 0.3209(2) 0.8688(3) 0.0453(8) Uani d . 1 . .
H H5A 0.7853 0.3360 0.9331 0.054 Uiso calc R 1 . .
C C6 0.7184(2) 0.27109(18) 0.7778(2) 0.0338(6) Uani d . 1 . .
C C7 0.6055(2) 0.24385(18) 0.7899(2) 0.0357(6) Uani d . 1 . .
H H7A 0.5917 0.2612 0.8566 0.043 Uiso calc R 1 . .
C C8 0.4111(2) 0.16962(18) 0.7365(2) 0.0357(7) Uani d . 1 . .
C C9 0.3808(3) 0.1909(2) 0.8325(3) 0.0446(7) Uani d . 1 . .
H H9A 0.4343 0.2264 0.8899 0.053 Uiso calc R 1 . .
C C10 0.2727(3) 0.1607(2) 0.8449(3) 0.0483(7) Uani d . 1 . .
C C11 0.1927(3) 0.1070(2) 0.7575(3) 0.0482(8) Uani d . 1 . .
C C12 0.2238(2) 0.0857(2) 0.6625(3) 0.0453(7) Uani d . 1 . .
H H12A 0.1707 0.0501 0.6051 0.054 Uiso calc R 1 . .
C C13 0.3324(2) 0.11598(18) 0.6505(3) 0.0363(6) Uani d . 1 . .
C C14 0.3126(2) 0.04987(18) 0.4708(3) 0.0400(7) Uani d . 1 . .
H H14A 0.2437 0.0221 0.4762 0.048 Uiso calc R 1 . .
C C15 0.3415(2) 0.03359(18) 0.3702(3) 0.0371(6) Uani d . 1 . .
C C16 0.2637(3) -0.0209(2) 0.2821(3) 0.0495(8) Uani d . 1 . .
H H16A 0.1975 -0.0472 0.2946 0.059 Uiso calc R 1 . .
C C17 0.2811(3) -0.0367(2) 0.1799(3) 0.0498(8) Uani d . 1 . .
H H17A 0.2278 -0.0728 0.1234 0.060 Uiso calc R 1 . .
C C18 0.3811(3) 0.0025(2) 0.1622(3) 0.0475(8) Uani d . 1 . .
C C19 0.4612(3) 0.0550(2) 0.2466(3) 0.0462(7) Uani d . 1 . .
H H19A 0.5277 0.0800 0.2331 0.055 Uiso calc R 1 . .
C C20 0.4444(2) 0.07135(18) 0.3526(2) 0.0354(6) Uani d . 1 . .
C C21 1.0950(3) 0.3371(3) 0.6713(3) 0.0656(10) Uani d . 1 . .
H H21A 1.1776 0.3601 0.6857 0.098 Uiso calc R 1 . .
H H21B 1.0322 0.3587 0.5985 0.098 Uiso calc R 1 . .
H H21C 1.0990 0.2795 0.6644 0.098 Uiso calc R 1 . .
C C22 0.3392(4) -0.0663(3) -0.0224(3) 0.0770(12) Uani d . 1 . .
H H22A 0.3711 -0.0680 -0.0847 0.116 Uiso calc R 1 . .
H H22B 0.2497 -0.0522 -0.0560 0.116 Uiso calc R 1 . .
H H22C 0.3499 -0.1184 0.0151 0.116 Uiso calc R 1 . .
C C23 0.2426(3) 0.1856(3) 0.9503(3) 0.0672(11) Uani d . 1 . .
H H23A 0.3058 0.2237 0.9984 0.101 Uiso calc R 1 . .
H H23B 0.2439 0.1388 0.9975 0.101 Uiso calc R 1 . .
H H23C 0.1590 0.2100 0.9221 0.101 Uiso calc R 1 . .
C C24 0.0704(3) 0.0742(3) 0.7637(4) 0.0730(12) Uani d . 1 . .
H H24A 0.0351 0.0330 0.7041 0.110 Uiso calc R 1 . .
H H24B 0.0092 0.1172 0.7493 0.110 Uiso calc R 1 . .
H H24C 0.0895 0.0517 0.8416 0.110 Uiso calc R 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 Ni1 O1 . . 83.33(8) ?
O2 Ni1 N2 . . 95.32(9) ?
O1 Ni1 N2 . . 178.38(10) ?
O2 Ni1 N1 . . 177.06(10) ?
O1 Ni1 N1 . . 95.26(9) ?
N2 Ni1 N1 . . 86.13(10) ?
C1 O1 Ni1 . . 127.25(17) ?
C20 O2 Ni1 . . 127.75(17) ?
C3 O3 C21 . . 117.9(2) ?
C18 O4 C22 . . 118.7(3) ?
C7 N1 C8 . . 121.1(2) ?
C7 N1 Ni1 . . 125.95(18) ?
C8 N1 Ni1 . . 112.92(17) ?
C14 N2 C13 . . 121.4(2) ?
C14 N2 Ni1 . . 125.10(19) ?
C13 N2 Ni1 . . 113.45(18) ?
O1 C1 C6 . . 123.7(2) ?
O1 C1 C2 . . 117.5(2) ?
C6 C1 C2 . . 118.8(2) ?
C3 C2 C1 . . 120.5(3) ?
C3 C2 H2A . . 119.7 ?
C1 C2 H2A . . 119.7 ?
C2 C3 O3 . . 123.9(3) ?
C2 C3 C4 . . 120.8(2) ?
O3 C3 C4 . . 115.3(3) ?
C5 C4 C3 . . 119.8(3) ?
C5 C4 H4A . . 120.1 ?
C3 C4 H4A . . 120.1 ?
C4 C5 C6 . . 121.4(3) ?
C4 C5 H5A . . 119.3 ?
C6 C5 H5A . . 119.3 ?
C1 C6 C7 . . 122.6(2) ?
C1 C6 C5 . . 118.7(2) ?
C7 C6 C5 . . 118.7(3) ?
N1 C7 C6 . . 125.0(3) ?
N1 C7 H7A . . 117.5 ?
C6 C7 H7A . . 117.5 ?
C9 C8 C13 . . 119.8(2) ?
C9 C8 N1 . . 126.5(3) ?
C13 C8 N1 . . 113.7(2) ?
C10 C9 C8 . . 121.6(3) ?
C10 C9 H9A . . 119.2 ?
C8 C9 H9A . . 119.2 ?
C9 C10 C11 . . 118.6(3) ?
C9 C10 C23 . . 120.0(3) ?
C11 C10 C23 . . 121.3(3) ?
C12 C11 C10 . . 119.5(3) ?
C12 C11 C24 . . 119.3(3) ?
C10 C11 C24 . . 121.1(3) ?
C11 C12 C13 . . 121.7(3) ?
C11 C12 H12A . . 119.1 ?
C13 C12 H12A . . 119.1 ?
C12 C13 C8 . . 118.8(3) ?
C12 C13 N2 . . 127.4(3) ?
C8 C13 N2 . . 113.8(2) ?
N2 C14 C15 . . 125.9(2) ?
N2 C14 H14A . . 117.1 ?
C15 C14 H14A . . 117.1 ?
C14 C15 C20 . . 122.3(2) ?
C14 C15 C16 . . 119.4(3) ?
C20 C15 C16 . . 118.2(3) ?
C17 C16 C15 . . 123.1(3) ?
C17 C16 H16A . . 118.5 ?
C15 C16 H16A . . 118.5 ?
C16 C17 C18 . . 118.1(3) ?
C16 C17 H17A . . 121.0 ?
C18 C17 H17A . . 121.0 ?
O4 C18 C19 . . 114.7(3) ?
O4 C18 C17 . . 124.2(3) ?
C19 C18 C17 . . 121.0(3) ?
C18 C19 C20 . . 121.2(3) ?
C18 C19 H19A . . 119.4 ?
C20 C19 H19A . . 119.4 ?
O2 C20 C19 . . 118.4(3) ?
O2 C20 C15 . . 123.3(2) ?
C19 C20 C15 . . 118.3(3) ?
O3 C21 H21A . . 109.5 ?
O3 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
O3 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
O4 C22 H22A . . 109.5 ?
O4 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
O4 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
C10 C23 H23A . . 109.5 ?
C10 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C10 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C11 C24 H24A . . 109.5 ?
C11 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
C11 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ni1 O2 . 1.8456(19) ?
Ni1 O1 . 1.8485(17) ?
Ni1 N2 . 1.856(2) ?
Ni1 N1 . 1.861(2) ?
O1 C1 . 1.305(3) ?
O2 C20 . 1.306(3) ?
O3 C3 . 1.367(3) ?
O3 C21 . 1.425(4) ?
O4 C18 . 1.358(4) ?
O4 C22 . 1.422(4) ?
N1 C7 . 1.301(3) ?
N1 C8 . 1.428(3) ?
N2 C14 . 1.304(4) ?
N2 C13 . 1.417(3) ?
C1 C6 . 1.414(4) ?
C1 C2 . 1.416(3) ?
C2 C3 . 1.367(4) ?
C2 H2A . 0.9300 ?
C3 C4 . 1.404(4) ?
C4 C5 . 1.356(4) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.417(4) ?
C5 H5A . 0.9300 ?
C6 C7 . 1.417(3) ?
C7 H7A . 0.9300 ?
C8 C9 . 1.386(4) ?
C8 C13 . 1.393(4) ?
C9 C10 . 1.384(4) ?
C9 H9A . 0.9300 ?
C10 C11 . 1.407(5) ?
C10 C23 . 1.508(4) ?
C11 C12 . 1.380(4) ?
C11 C24 . 1.517(4) ?
C12 C13 . 1.388(3) ?
C12 H12A . 0.9300 ?
C14 C15 . 1.411(4) ?
C14 H14A . 0.9300 ?
C15 C20 . 1.411(4) ?
C15 C16 . 1.412(4) ?
C16 C17 . 1.358(4) ?
C16 H16A . 0.9300 ?
C17 C18 . 1.395(4) ?
C17 H17A . 0.9300 ?
C18 C19 . 1.376(4) ?
C19 C20 . 1.402(4) ?
C19 H19A . 0.9300 ?
C21 H21A . 0.9600 ?
C21 H21B . 0.9600 ?
C21 H21C . 0.9600 ?
C22 H22A . 0.9600 ?
C22 H22B . 0.9600 ?
C22 H22C . 0.9600 ?
C23 H23A . 0.9600 ?
C23 H23B . 0.9600 ?
C23 H23C . 0.9600 ?
C24 H24A . 0.9600 ?
C24 H24B . 0.9600 ?
C24 H24C . 0.9600 ?
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Cg1 Cg2 3.4737(17) . 3_656 ?
Cg2 Cg3 3.7196(17) . 3_656 ?
Cg3 Cg3 3.3760(15) . 3_656 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C7 H7A O2 4_566 0.93 2.41 3.173(3) 140 y
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O2 Ni1 O1 C1 . . . . -177.0(3) ?
N1 Ni1 O1 C1 . . . . 5.6(3) ?
O1 Ni1 O2 C20 . . . . 178.4(2) ?
N2 Ni1 O2 C20 . . . . -0.7(2) ?
O1 Ni1 N1 C7 . . . . -1.8(3) ?
N2 Ni1 N1 C7 . . . . 177.3(3) ?
O1 Ni1 N1 C8 . . . . 179.12(19) ?
N2 Ni1 N1 C8 . . . . -1.71(19) ?
O2 Ni1 N2 C14 . . . . 5.4(2) ?
N1 Ni1 N2 C14 . . . . -177.1(2) ?
O2 Ni1 N2 C13 . . . . -176.57(19) ?
N1 Ni1 N2 C13 . . . . 0.86(19) ?
Ni1 O1 C1 C6 . . . . -6.3(4) ?
Ni1 O1 C1 C2 . . . . 174.40(19) ?
O1 C1 C2 C3 . . . . 178.8(3) ?
C6 C1 C2 C3 . . . . -0.5(4) ?
C1 C2 C3 O3 . . . . -179.9(3) ?
C1 C2 C3 C4 . . . . 0.0(5) ?
C21 O3 C3 C2 . . . . -0.3(5) ?
C21 O3 C3 C4 . . . . 179.7(3) ?
C2 C3 C4 C5 . . . . -0.6(5) ?
O3 C3 C4 C5 . . . . 179.4(3) ?
C3 C4 C5 C6 . . . . 1.7(5) ?
O1 C1 C6 C7 . . . . 1.9(5) ?
C2 C1 C6 C7 . . . . -178.8(3) ?
O1 C1 C6 C5 . . . . -177.8(3) ?
C2 C1 C6 C5 . . . . 1.6(4) ?
C4 C5 C6 C1 . . . . -2.2(5) ?
C4 C5 C6 C7 . . . . 178.2(3) ?
C8 N1 C7 C6 . . . . 177.6(3) ?
Ni1 N1 C7 C6 . . . . -1.4(4) ?
C1 C6 C7 N1 . . . . 2.1(5) ?
C5 C6 C7 N1 . . . . -178.3(3) ?
C7 N1 C8 C9 . . . . 2.2(5) ?
Ni1 N1 C8 C9 . . . . -178.7(3) ?
C7 N1 C8 C13 . . . . -176.9(3) ?
Ni1 N1 C8 C13 . . . . 2.2(3) ?
C13 C8 C9 C10 . . . . -0.6(5) ?
N1 C8 C9 C10 . . . . -179.6(3) ?
C8 C9 C10 C11 . . . . 0.1(5) ?
C8 C9 C10 C23 . . . . -179.7(3) ?
C9 C10 C11 C12 . . . . 0.2(5) ?
C23 C10 C11 C12 . . . . -179.9(3) ?
C9 C10 C11 C24 . . . . -177.7(3) ?
C23 C10 C11 C24 . . . . 2.1(5) ?
C10 C11 C12 C13 . . . . -0.1(5) ?
C24 C11 C12 C13 . . . . 177.9(3) ?
C11 C12 C13 C8 . . . . -0.4(5) ?
C11 C12 C13 N2 . . . . -178.7(3) ?
C9 C8 C13 C12 . . . . 0.7(4) ?
N1 C8 C13 C12 . . . . 179.9(2) ?
C9 C8 C13 N2 . . . . 179.3(3) ?
N1 C8 C13 N2 . . . . -1.6(4) ?
C14 N2 C13 C12 . . . . -3.3(5) ?
Ni1 N2 C13 C12 . . . . 178.6(2) ?
C14 N2 C13 C8 . . . . 178.3(3) ?
Ni1 N2 C13 C8 . . . . 0.2(3) ?
C13 N2 C14 C15 . . . . 176.1(3) ?
Ni1 N2 C14 C15 . . . . -6.0(4) ?
N2 C14 C15 C20 . . . . 0.5(5) ?
N2 C14 C15 C16 . . . . -178.0(3) ?
C14 C15 C16 C17 . . . . 176.6(3) ?
C20 C15 C16 C17 . . . . -2.0(5) ?
C15 C16 C17 C18 . . . . 0.4(5) ?
C22 O4 C18 C19 . . . . 174.1(3) ?
C22 O4 C18 C17 . . . . -5.2(5) ?
C16 C17 C18 O4 . . . . -179.8(3) ?
C16 C17 C18 C19 . . . . 1.0(5) ?
O4 C18 C19 C20 . . . . -179.9(3) ?
C17 C18 C19 C20 . . . . -0.7(5) ?
Ni1 O2 C20 C19 . . . . 177.2(2) ?
Ni1 O2 C20 C15 . . . . -3.8(4) ?
C18 C19 C20 O2 . . . . 178.1(3) ?
C18 C19 C20 C15 . . . . -1.0(5) ?
C14 C15 C20 O2 . . . . 4.7(4) ?
C16 C15 C20 O2 . . . . -176.8(3) ?
C14 C15 C20 C19 . . . . -176.3(3) ?
C16 C15 C20 C19 . . . . 2.2(4) ?
